2,3-Dibromopropionic Acid - ≥97% , CAS No.600-05-5

CAS: 600-05-5 Cat. No.: D155446 Summenformel: C₃H₄Br₂O₂ Molekulargewicht: 231.87 Beilstein Registry Number: 1721430 EG-Nummer: 209-981-1

GRADE & PURITY ≥97%

Synonyms

F1905-6991 | NCGC00091481-01 | ZMYAKSMZTVWUJB-UHFFFAOYSA-N | 2,3-DIBROMOPROPIONIC ACID | 2,3-dibromo-propionic acid | (+/-)-2,3-DIBROMOPROPIONIC ACID | Propionic acid, 2,3-dibromo- | .alpha.,.beta.-Dibromopropionic acid | NSC 175 | BRN 1721428 | Butyl tri

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

2,3-Dibromopropionic acid was used in chemical shift imaging during analysis of multiple samples by multiplex sample NMR methodology. It was used as surrogate standard during extraction and determination of haloacetic acid in drinking water.

Specifications

Synonyme

F1905-6991 | NCGC00091481-01 | ZMYAKSMZTVWUJB-UHFFFAOYSA-N | 2,3-DIBROMOPROPIONIC ACID | 2,3-dibromo-propionic acid | (+/-)-2,3-DIBROMOPROPIONIC ACID | Propionic acid, 2,3-dibromo- | .alpha.,.beta.-Dibromopropionic acid | NSC 175 | BRN 1721428 | Butyl tri

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504752187
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752187
• Kanonisches Lächeln: C(C(C(=O)O)Br)Br
• IUPAC Name: 2,3-dibromopropanoic acid
• InChIKey: ZMYAKSMZTVWUJB-UHFFFAOYSA-N
• INCHI: 1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
• Isomere SMILES: C(C(C(=O)O)Br)Br
• WGK Deutschland: 3
• RTECS: UF0660000
• Molekulargewicht: 231.87
• Beilstein: 1721430
• Reaxy-Rn: 1721428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721428&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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Lymphoblastoid cell (5959 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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GMNN Tbio Geminin (128009 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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Plasmodium falciparum (966862 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in Water very faint turbidity
• Empfindlichkeit: Light sensitive ；Air sensitive ；Heat sensitive
• Siedepunkt (°C): 119°C/7mmHg(lit.)
• Schmelzpunkt (°C): 64-66°C(lit.)
• Molekulargewicht: 231.870 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.856 Da
• Monoisotopic Mass: 229.858 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 73.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 600-05-5, the molecular formula is C3H4Br2O2, and the molecular weight is 231.87 g/mol. InChIKey ZMYAKSMZTVWUJB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.